Geometry & MOs

Info

ID:	20015
PubChem CID:	576891
Reduced:	NO5H13C16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	299.079373
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	6.53
IP(EA), eV:	-9.93(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-nitrophenyl)-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations